2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol

C9H15NOS — CID 55273337

IUPAC2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc(C(C)(N)CO)sc1C
InChIInChI=1S/C9H15NOS/c1-6-4-8(12-7(6)2)9(3,10)5-11/h4,11H,5,10H2,1-3H3
InChIKeyDDUFDNMFRMYIOW-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol

2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol (PubChem CID 55273337) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
PubChem CID55273337
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc(C(C)(N)CO)sc1C
InChIInChI=1S/C9H15NOS/c1-6-4-8(12-7(6)2)9(3,10)5-11/h4,11H,5,10H2,1-3H3
InChIKeyDDUFDNMFRMYIOW-UHFFFAOYSA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 130731401
5-tert-butyl-2,3-dimethylthiophene
CID 59772802
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
CID 130610700
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,6-dimethylphenol
CID 131196188
N-(1-hydroxy-2-methylbutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 64556214
2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 130874727
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459
5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one
CID 130855583

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The IUPAC name of 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol (CID 55273337) is 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol is Cc1cc(C(C)(N)CO)sc1C.
What is the InChIKey of 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The InChIKey is DDUFDNMFRMYIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6-4-8(12-7(6)2)9(3,10)5-11/h4,11H,5,10H2,1-3H3.
What are the key properties of 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 55273337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).